N-(1-aminopropylidene)-4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carboxamide

C13H25N3O2 — CID 143776658

IUPACN-(1-aminopropylidene)-4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carboxamide
SMILESCCC(N)=NC(=O)N1CCC([C@H](C)CCO)CC1
InChIInChI=1S/C13H25N3O2/c1-3-12(14)15-13(18)16-7-4-11(5-8-16)10(2)6-9-17/h10-11,17H,3-9H2,1-2H3,(H2,14,15,18)/t10-/m1/s1
InChIKeyKKZMRNIYGMNARO-SNVBAGLBSA-N
MW255.36 g/mol
LogP1.60
Rot. Bonds4

About N-(1-aminopropylidene)-4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carboxamide

N-(1-aminopropylidene)-4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carboxamide (PubChem CID 143776658) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(1-aminopropylidene)-4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropylidene)-4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carboxamide
PubChem CID143776658
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(1-aminopropylidene)-4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carboxamide
SMILESCCC(N)=NC(=O)N1CCC([C@H](C)CCO)CC1
InChIInChI=1S/C13H25N3O2/c1-3-12(14)15-13(18)16-7-4-11(5-8-16)10(2)6-9-17/h10-11,17H,3-9H2,1-2H3,(H2,14,15,18)/t10-/m1/s1
InChIKeyKKZMRNIYGMNARO-SNVBAGLBSA-N
XLogP1.60
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(1-Amino-2-methylpropylidene)carbamoyl]piperidin-4-yl]butyl methanesulfinate
CID 91160784
3-[1-(1-Aminopropylidenecarbamoyl)piperidin-4-yl]butyl acetate
CID 91387980
3-[1-[(1-Amino-2-methylpropylidene)carbamoyl]piperidin-4-yl]butanoic acid
CID 123439132
N-(1-amino-2-methylpropylidene)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 123684516
1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanide
CID 143776657
(NZ)-N-(1-amino-2-methylpropylidene)-4-(3-methylsulfanyloxypropyl)piperidine-1-carboxamide
CID 143923628
[(3R)-3-[1-[(Z)-1-aminopropylidenecarbamoyl]piperidin-4-yl]butyl] methanesulfinate;hydrate
CID 144051479
(NZ)-N-(1-amino-2-methylpropylidene)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 145380334
1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanium
CID 163713083
[(3R)-3-[1-[(Z)-1-aminopropylidenecarbamoyl]piperidin-4-yl]butyl] methanesulfinate
CID 144051480
[(3R)-3-[1-[(Z)-(1-amino-2-methylpropylidene)carbamoyl]piperidin-4-yl]butyl] methanesulfinate
CID 144263841
(NZ)-N-(1-amino-2-methylpropylidene)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 144954315

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropylidene)-4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(1-aminopropylidene)-4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carboxamide (CID 143776658) is N-(1-aminopropylidene)-4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(1-aminopropylidene)-4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(1-aminopropylidene)-4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carboxamide is CCC(N)=NC(=O)N1CCC([C@H](C)CCO)CC1.
What is the InChIKey of N-(1-aminopropylidene)-4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carboxamide?
The InChIKey is KKZMRNIYGMNARO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-12(14)15-13(18)16-7-4-11(5-8-16)10(2)6-9-17/h10-11,17H,3-9H2,1-2H3,(H2,14,15,18)/t10-/m1/s1.
What are the key properties of N-(1-aminopropylidene)-4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carboxamide?
N-(1-aminopropylidene)-4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropylidene)-4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 143776658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).